Up a level |
Ponec, Robert, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter B
(2020)
Are Multicentre Bond Indices and Related Quantities Reliable Predictors of Excited-State Aromaticity?
MOLECULES, 25 (20).
E4791-.
Karadakov, Peter B, Di, Make and Cooper, David L ORCID: 0000-0003-0639-0794
(2020)
Excited-State Aromaticity Reversals in Mobius Annulenes.
JOURNAL OF PHYSICAL CHEMISTRY A, 124 (46).
pp. 9611-9616.
Cooper, David L ORCID: 0000-0003-0639-0794, Ponec, Robert and Karadakov, Peter B
(2022)
Investigating Istvan Mayer's "improved" definitions of bond orders and free valence for correlated singlet-state wave functions.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 122 (8).
Penotti, Fabio E, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter B
(2019)
Is the S<sub>2</sub>N<sub>2</sub> ring a singlet diradical? Critical analysis of alternative valence bond descriptions.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 119 (7).
e25845-e25845.
Penotti, Fabio E, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter B
(2019)
Is the S₂N₂ ring a singlet diradical? Critical analysis of alternative valence bond descriptions.
International Journal of Quantum Chemistry, 119 (7).
Karadakov, Peter B, Stewart, Ben and Cooper, David L ORCID: 0000-0003-0639-0794
(2023)
Magnetic Shielding Analysis of Bonding in [1.1.1]Propellane.
JOURNAL OF PHYSICAL CHEMISTRY A, 127 (4).
pp. 861-869.
Karadakov, Peter B and Cooper, David L ORCID: 0000-0003-0639-0794
(2017)
Modern valence-bond descriptions of polycyclic fused aromatic compounds involving cyclopropenyl rings.
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 1116.
pp. 32-39.
Penotti, Fabio E, Cooper, David L ORCID: 0000-0003-0639-0794, Karadakov, Peter B and Ponec, Robert
(2020)
Nature of the chemical bonding in D3h [MH₃M]⁺ cations (M = Be, Mg).
International Journal of Quantum Chemistry, 120 (11).
Cooper, David L ORCID: 0000-0003-0639-0794, Penotti, Fabio E and Karadakov, Peter B
(2023)
Reassessing the Composition of Hybrid Orbitals in Contemporary VB Calculations.
JOURNAL OF PHYSICAL CHEMISTRY A, 127 (23).
pp. 4949-4956.
Penotti, Fabio E, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter B
(2021)
Role of Dynamical Electron Correlation in the Differences in Bonding between CaAlH<sub>3</sub> and MgAlH<sub>3</sub>.
JOURNAL OF PHYSICAL CHEMISTRY A, 125 (18).
pp. 3912-3919.
Dunning Jr, Thom H, Cooper, David L ORCID: 0000-0003-0639-0794, Xu, Lu T and Karadakov, Peter B
(2022)
Spin-Coupled Generalized Valence Bond Theory: An Appealing Orbital Theory of the Electronic Structure of Atoms and Molecules.
In:
Comprehensive Computational Chemistry.
Elsevier.
Dunning, Thom H Jr, Xu, Lu T, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter B
(2021)
Spin-Coupled Generalized Valence Bond Theory: New Perspectives on the Electronic Structure of Molecules and Chemical Bonds.
JOURNAL OF PHYSICAL CHEMISTRY A, 125 (10).
pp. 2021-2050.
Galbraith, John Morrison, Shaik, Sason, Danovich, David, Braida, Benoit, Wu, Wei, Hiberty, Philippe, Cooper, David L ORCID: 0000-0003-0639-0794, Karadakov, Peter B and Dunning, Thom H Jr
(2021)
Valence Bond and Molecular Orbital: Two Powerful Theories that Nicely Complement One Another.
JOURNAL OF CHEMICAL EDUCATION, 98 (12).
pp. 3617-3620.